Chemical Properties of 4-Butyloxy-3-methylbenzoic acid, butyl ester

InChI

InChI=1S/C16H24O3/c1-4-6-10-18-15-9-8-14(12-13(15)3)16(17)19-11-7-5-2/h8-9,12H,4-7,10-11H2,1-3H3

InChI Key

NSHTUZAELSBODY-UHFFFAOYSA-N

Formula

C16H24O3

SMILES

CCCCOC(=O)c1ccc(OCCCC)c(C)c1

Molecular Weight¹

264.36

Other Names

• Butyl 4-butoxy-3-methylbenzoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.49; 746.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.39460e+01
Coefficient B			1.20796e+00
Coefficient C			-5.38120e-04
Coefficient D			4.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.49	J/mol×K	273.00	Calculated Property
Cp,gas	395.85	J/mol×K	353.78	Calculated Property
Cp,gas	460.78	J/mol×K	434.56	Calculated Property
Cp,gas	519.43	J/mol×K	515.33	Calculated Property
Cp,gas	571.91	J/mol×K	596.11	Calculated Property
Cp,gas	618.38	J/mol×K	676.89	Calculated Property
Cp,gas	658.97	J/mol×K	757.67	Calculated Property
Cp,gas	693.81	J/mol×K	838.44	Calculated Property
Cp,gas	723.03	J/mol×K	919.22	Calculated Property
Cp,gas	746.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010648; 0.0001215]	Pa×s	[386.10; 613.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.26977e+01
Coefficient B			2.25971e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			386.10
Temperature range, max.			613.69
η	0.0010648	Pa×s	386.10	Calculated Property
η	0.0007430	Pa×s	411.39	Calculated Property
η	0.0005406	Pa×s	436.68	Calculated Property
η	0.0004072	Pa×s	461.96	Calculated Property
η	0.0003159	Pa×s	487.25	Calculated Property
η	0.0002513	Pa×s	512.54	Calculated Property
η	0.0002043	Pa×s	537.83	Calculated Property
η	0.0001691	Pa×s	563.11	Calculated Property
η	0.0001423	Pa×s	588.40	Calculated Property
η	0.0001215	Pa×s	613.69	Calculated Property

Similar Compounds

Find more compounds similar to 4-Butyloxy-3-methylbenzoic acid, butyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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